SCHEMBL459978

SCHEMBL459978

CC(C)(C)OC(=O)Nc1cc(N2CCN(C(=O)O)CC2)c(Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.41
MAPK8 P45983 1/20 0.41
NPY2R P49146 8/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
REV1 Q9UBZ9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL463132 0.91 BACE1 (0.49) BACE1MAPK8TSHRNPSR1LMNA
SCHEMBL458554 0.90 NPY2R (0.42) BACE1MAPK8NPY2RMAPK1LMNA
SCHEMBL12272881 0.84 ATR (0.41) BACE1NPY2RALDH1A1MAPK1CYP3A4
SCHEMBL27913497 0.84 NPY2R (0.38) BACE1MAPK8NPY2RREV1
SCHEMBL459977 0.84 NPY2R (0.38) BACE1MAPK8NPY2RMAPK1LMNA
SCHEMBL470227 0.82 BACE1 (0.47) BACE1MAPK8ALDH1A1TSHRNPSR1
SCHEMBL470197 0.80 MEN1 (0.47) BACE1MAPK8ALDH1A1TSHRNPSR1
SCHEMBL27931713 0.79 NPY2R (0.48) NPY2RNPSR1MAPT
SCHEMBL457432 0.78 MEN1 (0.51) BACE1MAPK8ALDH1A1TSHRNPSR1
SCHEMBL27913478 0.78 MAPT (0.52) NPY2RALDH1A1TP53MAPK1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 BACE1 3286/4885MAPK8 4072/4885NPY2R 336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.